(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone

Systemtic Name: (4-bromanyl-3,5-dimethyl-pyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone Openeye Name: (4-bromo-3,5-dimethyl-pyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone CAS Name: (4-bromo-3,5-dimethyl-1-pyrazolyl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone IUPAC Name: (4-bromo-3,5-dimethylpyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone Traditional Name: (4-bromo-3,5-dimethyl-pyrazol-1-yl)-[4-[(4-propylphenoxy)methyl]phenyl]methanone Formula: C22H23BrN2O2 MolecularWeight: 427.33422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CCCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)N3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C22H23BrN2O2/c1-4-5-17-8-12-20(13-9-17)27-14-18-6-10-19(11-7-18)22(26)25-16(3)21(23)15(2)24-25/h6-13H,4-5,14H2,1-3H3